SCHEMBL14750037

SCHEMBL14750037

Cc1ccc(O)c(O)c1OCC(C)(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.54
▸ PPARA Q07869 3/20 0.40
▸ TTR P02766 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ SCN5A Q14524 1/20 0.36
▸ DGAT1 O75907 13/20 0.34
▸ GUCY1A1 Q02108 1/20 0.34
▸ GUCY1B1 Q02153 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14750031 0.85 CYP2C9 (0.41) CYP2C9SCN5ADGAT1
SCHEMBL14750029 0.85 CYP2C9 (0.55) CYP2C9PPARATTRCYP1A2CYP2C8
SCHEMBL14750655 0.77 CD69 (0.46) SMN1; SMN2SCN5A
SCHEMBL14749777 0.76 CYP2C9 (0.55) CYP2C9PPARATTRCYP1A2CYP2C8
SCHEMBL21991307 0.70 CYP2C9 (1.00) CYP2C9PPARATTRCYP1A2CYP2C8
SCHEMBL14750660 0.70 ESR1 (0.48) CYP1A2SMN1; SMN2
SCHEMBL5850317 0.69 CYP2C9 (0.67) CYP2C9PPARATTRCYP1A2CYP2C8
SCHEMBL13948414 0.68 CYP2C9 (0.61) CYP2C9PPARATTRCYP1A2CYP2C8
SCHEMBL14750025 0.68 MGLL (0.41) DGAT1
SCHEMBL5724626 0.67 PPARA (0.58) CYP2C9PPARAPPARGDGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 — — US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A CYP2C9 889/4885PPARA 2560/4885TTR 4723/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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